Chemical Properties of Terephthalic acid, octyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C19H25F3O4/c1-3-4-5-6-7-8-13-25-17(23)15-9-11-16(12-10-15)18(24)26-14(2)19(20,21)22/h9-12,14H,3-8,13H2,1-2H3

InChI Key

BZMALCXOVULWCD-UHFFFAOYSA-N

Formula

C19H25F3O4

SMILES

CCCCCCCCOC(=O)c1ccc(C(=O)OC(C)C(F)(F)F)cc1

Molecular Weight¹

374.39

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9420		Relay (... Calculated Property
ΔfG°	-839.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1469.77	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.49	kJ/mol	Joback Calculated Property
ΔvapH°	93.02	kJ/mol	Relay (... Calculated Property
IE	9.76	eV	Relay (... Calculated Property
log10WS	-5.98		Relay (... Calculated Property
logPoct/wat	5.312		Crippen Calculated Property
McVol	275.000	ml/mol	McGowan Calculated Property
Pc	1330.04	kPa	Joback Calculated Property
Inp	[2340.00; 2340.00]
Inp	2340.00		NIST
Inp	2340.00		NIST
Tboil	617.85	K	Relay (... Calculated Property
Tc	779.97	K	Relay (... Calculated Property
Tfus	303.81	K	Relay (... Calculated Property
Vc	1.020	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[843.33; 917.99]	J/mol×K	[812.50; 1005.75]
Cp,gas	843.33	J/mol×K	812.50	Joback Calculated Property
Cp,gas	858.21	J/mol×K	844.71	Joback Calculated Property
Cp,gas	872.07	J/mol×K	876.92	Joback Calculated Property
Cp,gas	884.94	J/mol×K	909.12	Joback Calculated Property
Cp,gas	896.86	J/mol×K	941.33	Joback Calculated Property
Cp,gas	907.87	J/mol×K	973.54	Joback Calculated Property
Cp,gas	917.99	J/mol×K	1005.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, octyl 1,1,1-trifluoroprop-2-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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